HRID694889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID76079

4-Aminobenzamide

C7H8N2O

HCID22221254

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1ccc(NC(=O)CCc2cnoc2-c2ccccc2)cc1

HCID22221422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5c43496a390e4f7db55c7950c90758ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[ClH:38].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10]1.[OH2:27].[OH2:50].[OH:28][n:29]1[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1.[c:11]1(-[c:17]2[c:18]([CH2:22][CH2:23][C:24](=[O:25])[OH:26])[cH:19][n:20][o:21]2)[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10]1)[C:24]([CH2:23][CH2:22][c:18]1[c:17](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[o:21][n:20][cH:19]1)=[O:25]